HRID2125808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID73216

4-Thiazolecarboxylic acid, 2-amino-, ethyl ester

C6H8N2O2S

HCID81531

Diisopropylethylamine

C8H19N

HCID105034

Isocyanate

CNO-

HCID2733368

3,4-Dichlorobenzyl isocyanate

C8H5Cl2NO

PRODUCTS

生成物

结构：CCOC(=O)c1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

HCID86622748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2feddb862d8845dca17ccfdbd12fc608
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:21][c:22]1[cH:23][c:24]([CH2:25][N:26]=[C:27]=[O:28])[cH:29][cH:30][c:31]1[Cl:32].[N-:33]=[C:34]=[O:35].[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1>>[NH:1]([c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1)[C:27]([NH:26][CH2:25][c:24]1[cH:23][c:22]([Cl:21])[c:31]([Cl:32])[cH:30][cH:29]1)=[O:28]